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ENH: Adding seulex ODE

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This commit is contained in:
Sergio Ferraris
2013-11-07 14:25:03 +00:00
parent 084194c7bd
commit 8cae53f10b
3 changed files with 662 additions and 0 deletions
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1
src/ODE/Make/files
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@ -14,5 +14,6 @@ ODESolvers/rodas43/rodas43.C
ODESolvers/SIBS/SIBS.C
ODESolvers/SIBS/SIMPR.C
ODESolvers/SIBS/polyExtrapolate.C
ODESolvers/seulex/seulex.C
LIB = $(FOAM_LIBBIN)/libODE

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src/ODE/ODESolvers/seulex/seulex.C Normal file
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@ -0,0 +1,501 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2013 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
\*---------------------------------------------------------------------------*/
#include "seulex.H"
#include "addToRunTimeSelectionTable.H"
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
namespace Foam
{
defineTypeNameAndDebug(seulex, 0);
addToRunTimeSelectionTable(ODESolver, seulex, dictionary);
const scalar
seulex::EPS = VSMALL,
seulex::STEPFAC1 = 0.6,
seulex::STEPFAC2 = 0.93,
seulex::STEPFAC3 = 0.1,
seulex::STEPFAC4 = 4.0,
seulex::STEPFAC5 = 0.5,
seulex::KFAC1 = 0.7,
seulex::KFAC2 = 0.9;
}
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
Foam::seulex::seulex(const ODESystem& ode, const dictionary& dict)
:
ODESolver(ode, dict),
ode_(ode),
nSeq_(IMAXX),
cost_(IMAXX),
dfdx_(n_),
factrl_(IMAXX),
table_(KMAXX,n_),
fSave_((IMAXX-1)*(IMAXX+1)/2 + 2,n_),
dfdy_(n_),
calcJac_(false),
dense_(false),
a_(n_),
coeff_(IMAXX,IMAXX),
pivotIndices_(n_, 0.0),
hOpt_(IMAXX),
work_(IMAXX),
ySaved_(n_),
ySequence_(n_),
scale_(n_),
del_(n_),
yTemp_(n_),
dyTemp_(n_),
delTemp_(n_)
{
const scalar costfunc = 1.0, costjac = 5.0, costlu = 1.0, costsolve = 1.0;
jacRedo_ = min(1.0e-4, min(relTol_));
theta_ = 2.0*jacRedo_;
nSeq_[0] = 2;
nSeq_[1] = 3;
for (label i = 2; i < IMAXX; i++)
{
nSeq_[i] = 2*nSeq_[i-2];
}
cost_[0] = costjac + costlu + nSeq_[0]*(costfunc + costsolve);
for (label k=0;k<KMAXX;k++)
{
cost_[k+1] = cost_[k] + (nSeq_[k+1]-1)*(costfunc + costsolve) + costlu;
}
hnext_ =- VGREAT;
//NOTE: the first element of relTol_ and absTol_ are used here.
scalar logfact =- log10(relTol_[0] + absTol_[0])*0.6 + 0.5;
kTarg_ = min(1, min(KMAXX - 1, label(logfact)));
for (label k = 0; k < IMAXX; k++)
{
for (label l = 0; l < k; l++)
{
scalar ratio = scalar(nSeq_[k])/nSeq_[l];
coeff_[k][l] = 1.0/(ratio - 1.0);
}
}
factrl_[0] = 1.0;
for (label k = 0; k < IMAXX - 1; k++)
{
factrl_[k+1] = (k+1)*factrl_[k];
}
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
void Foam::seulex::solve
(
const ODESystem& ode,
scalar& x,
scalarField& y,
scalar& dxTry
) const
{
step(dxTry, x, y);
dxTry = hnext_;
}
void Foam::seulex::step(const scalar& htry, scalar& x, scalarField& y) const
{
static bool first_step = true, last_step = false;
static bool forward, reject = false, prev_reject = false;
static scalar errold;
label i, k;
scalar fac, h, hnew, err;
bool firstk;
work_[0] = 1.e30;
h = htry;
forward = h > 0 ? true : false;
ySaved_ = y;
if (h != hnext_ && !first_step)
{
last_step = true;
}
if (reject)
{
prev_reject = true;
last_step = false;
theta_=2.0*jacRedo_;
}
for (i = 0; i < n_; i++)
{
scale_[i] = absTol_[i] + relTol_[i]*mag(y[i]);
}
reject = false;
firstk = true;
hnew = mag(h);
if (theta_ > jacRedo_ && !calcJac_)
{
ode_.jacobian(x, y, dfdx_, dfdy_);
calcJac_ = true;
}
while (firstk || reject)
{
h = forward ? hnew : -hnew;
firstk = false;
reject = false;
if (mag(h) <= mag(x)*EPS)
{
WarningIn("seulex::step(const scalar")
<< "step size underflow in step :" << h << endl;
}
label ipt=-1;
for (k = 0; k <= kTarg_ + 1; k++)
{
bool success = dy(x, ySaved_, h, k, ySequence_, ipt, scale_);
if (!success)
{
reject = true;
hnew = mag(h)*STEPFAC5;
break;
}
if (k == 0)
{
y = ySequence_;
}
else
{
for (i = 0; i < n_; i++)
table_[k-1][i] = ySequence_[i];
}
if (k != 0)
{
polyextr(k, table_, y);
err = 0.0;
for (i = 0; i < n_; i++)
{
scale_[i] = absTol_[i] + relTol_[i]*mag(ySaved_[i]);
err += sqr((y[i] - table_[0][i])/scale_[i]);
}
err = sqrt(err/n_);
if (err > 1.0/EPS || (k > 1 && err >= errold))
{
reject = true;
hnew = mag(h)*STEPFAC5;
break;
}
errold = min(4.0*err, 1.0);
scalar expo = 1.0/(k + 1);
scalar facmin = pow(STEPFAC3, expo);
if (err == 0.0)
{
fac = 1.0/facmin;
}
else
{
fac = STEPFAC2/pow(err/STEPFAC1, expo);
fac = max(facmin/STEPFAC4, min(1.0/facmin, fac));
}
hOpt_[k] = mag(h*fac);
work_[k] = cost_[k]/hOpt_[k];
if ((first_step || last_step) && err <= 1.0)
{
break;
}
if (k == kTarg_-1 && !prev_reject && !first_step && !last_step)
{
if (err <= 1.0)
{
break;
}
else if (err > nSeq_[kTarg_]*nSeq_[kTarg_ + 1]*4.0)
{
reject = true;
kTarg_ = k;
if (kTarg_>1 && work_[k-1] < KFAC1*work_[k])
{
kTarg_--;
}
hnew = hOpt_[kTarg_];
break;
}
}
if (k == kTarg_)
{
if (err <= 1.0)
{
break;
}
else if (err > nSeq_[k + 1]*2.0)
{
reject = true;
if (kTarg_>1 && work_[k-1] < KFAC1*work_[k])
{
kTarg_--;
}
hnew = hOpt_[kTarg_];
break;
}
}
if (k == kTarg_+1)
{
if (err > 1.0)
{
reject = true;
if (kTarg_ > 1 && work_[kTarg_-1] < KFAC1*work_[kTarg_])
{
kTarg_--;
}
hnew = hOpt_[kTarg_];
}
break;
}
}
}
if (reject)
{
prev_reject = true;
if (!calcJac_)
{
theta_ = 2.0*jacRedo_;
if (theta_ > jacRedo_ && !calcJac_)
{
ode_.jacobian(x, y, dfdx_, dfdy_);
calcJac_ = true;
}
}
}
}
calcJac_ = false;
x += h;
hdid_ = h;
first_step = false;
label kopt;
if (k == 1)
{
kopt = 2;
}
else if (k <= kTarg_)
{
kopt=k;
if (work_[k-1] < KFAC1*work_[k])
{
kopt = k - 1;
}
else if (work_[k] < KFAC2*work_[k - 1])
{
kopt = min(k + 1, KMAXX - 1);
}
}
else
{
kopt = k - 1;
if (k > 2 && work_[k-2] < KFAC1*work_[k - 1])
{
kopt = k - 2;
}
if (work_[k] < KFAC2*work_[kopt])
{
kopt = min(k, KMAXX - 1);
}
}
if (prev_reject)
{
kTarg_ = min(kopt, k);
hnew = min(mag(h), hOpt_[kTarg_]);
prev_reject = false;
}
else
{
if (kopt <= k)
{
hnew = hOpt_[kopt];
}
else
{
if (k < kTarg_ && work_[k] < KFAC2*work_[k - 1])
{
hnew = hOpt_[k]*cost_[kopt + 1]/cost_[k];
}
else
{
hnew = hOpt_[k]*cost_[kopt]/cost_[k];
}
}
kTarg_ = kopt;
}
if (forward)
{
hnext_ = hnew;
}
else
{
hnext_ =- hnew;
}
}
bool Foam::seulex::dy
(
const scalar& x,
scalarField& y,
const scalar htot,
const label k,
scalarField& yend,
label& ipt,
scalarField& scale
) const
{
label nstep = nSeq_[k];
scalar h = htot/nstep;
for (label i = 0; i < n_; i++)
{
for (label j = 0; j < n_; j++) a_[i][j] = -dfdy_[i][j];
a_[i][i] += 1.0/h;
}
LUDecompose(a_, pivotIndices_);
scalar xnew = x + h;
ode_.derivatives(xnew, y, del_);
yTemp_ = y;
LUBacksubstitute(a_, pivotIndices_, del_);
if (dense_ && nstep == k + 1)
{
ipt++;
for (label i = 0; i < n_; i++)
{
fSave_[ipt][i] = del_[i];
}
}
for (label nn = 1; nn < nstep; nn++)
{
for (label i=0;i<n_;i++)
{
yTemp_[i] += del_[i];
}
xnew += h;
ode_.derivatives(xnew, yTemp_, yend);
if (nn == 1 && k<=1)
{
scalar del1=0.0;
for (label i = 0; i < n_; i++)
{
del1 += sqr(del_[i]/scale[i]);
}
del1 = sqrt(del1);
ode_.derivatives(x+h, yTemp_, dyTemp_);
for (label i=0;i<n_;i++)
{
del_[i] = dyTemp_[i] - del_[i]/h;
}
LUBacksubstitute(a_, pivotIndices_, del_);
scalar del2 = 0.0;
for (label i = 0; i <n_ ; i++)
{
del2 += sqr(del_[i]/scale[i]);
}
del2 = sqrt(del2);
theta_ = del2 / min(1.0, del1 + SMALL);
if (theta_ > 1.0)
{
return false;
}
}
delTemp_ = yend;
LUBacksubstitute(a_, pivotIndices_, delTemp_);
del_ = delTemp_;
if (dense_ && nn >= nstep-k-1)
{
ipt++;
for (label i=0;i<n_;i++)
{
fSave_[ipt][i]=del_[i];
}
}
}
yend = yTemp_ + del_;
return true;
}
void Foam::seulex::polyextr
(
const label k,
scalarRectangularMatrix& table,
scalarField& last
) const
{
label l=last.size();
for (label j = k - 1; j > 0; j--)
{
for (label i=0; i<l; i++)
{
table[j-1][i] =
table[j][i] + coeff_[k][j]*(table[j][i] - table[j-1][i]);
}
}
for (label i = 0; i < l; i++)
{
last[i] = table[0][i] + coeff_[k][0]*(table[0][i] - last[i]);
}
}
// ************************************************************************* //

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src/ODE/ODESolvers/seulex/seulex.H Normal file
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@ -0,0 +1,160 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2013 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
Class
Foam::seulex
Description
An extrapolation-algorithm, based on the linearly implicit Euler method
with step size control and order selection.
The implementation is based on the SEULEX code in
\verbatim
"Solving Ordinary Differential Equations II: Stiff
and Differential-Algebraic Problems, second edition",
Hairer, E.,
Nørsett, S.,
Wanner, G.,
Springer-Verlag, Berlin. 1996.
\endverbatim
SourceFiles
seulex.C
\*---------------------------------------------------------------------------*/
#ifndef seulex_H
#define seulex_H
#include "ODESolver.H"
#include "scalarFieldField.H"
#include "scalarMatrices.H"
#include "labelField.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
/*---------------------------------------------------------------------------*\
Class seulex Declaration
\*---------------------------------------------------------------------------*/
class seulex
:
public ODESolver
{
// Private data
//- seulex constants
static const scalar EPS;
static const label KMAXX=12, IMAXX = KMAXX + 1;
static const scalar
STEPFAC1, STEPFAC2, STEPFAC3, STEPFAC4, STEPFAC5, KFAC1, KFAC2;
//- Reference to ODESystem
const ODESystem& ode_;
// Temporary fields
mutable label kTarg_;
mutable labelField nSeq_;
mutable scalarField cost_, dfdx_, factrl_;
mutable scalarRectangularMatrix table_, fSave_;
mutable scalarSquareMatrix dfdy_;
mutable scalar jacRedo_, theta_;
mutable bool calcJac_, dense_;
mutable scalarSquareMatrix a_, coeff_;
mutable scalar hnext_, hdid_;
mutable labelList pivotIndices_;
// Fields space for "step" function
mutable scalarField hOpt_ ,work_, ySaved_, ySequence_, scale_;
// Fields used in "dy" function
mutable scalarField del_, yTemp_, dyTemp_, delTemp_;
// Private Member Functions
void step(const scalar& htry, scalar& x, scalarField& y) const;
bool dy
(
const scalar& x,
scalarField& y,
const scalar htot,
const label k,
scalarField& yend,
label& ipt,
scalarField& scale
) const;
void polyextr
(
const label k,
scalarRectangularMatrix& table,
scalarField& last
) const;
public:
//- Runtime type information
TypeName("seulex");
// Constructors
//- Construct from ODE
seulex(const ODESystem& ode, const dictionary& dict);
// Member Functions
void solve
(
const ODESystem& ode,
scalar& x,
scalarField& y,
scalar& dxTry
) const;
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //